Sure thing! Is the code sufficient, or would you need a runnable jar?
package TestClasses;
import org.openbabel.OBConversion;
import org.openbabel.OBMol;
public class TestOBWriteFile {
public static void main(String[] args) {
System.load("/Applications/OpenBabel/openbabel-2.2.3/scripts/java/libopenbabel.jnilib");
OBMol mol=new OBMol();
OBConversion obc=new OBConversion();
boolean SetSuccessful=obc.SetInAndOutFormats("pdb", "pdb");
if (SetSuccessful) {
obc.ReadFile(mol, "/Users/max/propane.pdb");
obc.WriteFile(mol, "/Users/max/propaneOut.pdb");
}
}
}
Thank you so much for your help!
Best,
Max
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